SCHEMBL1876458

SCHEMBL1876458

CC1CC(C)CC(C)(C)C1.N=C=O.N=C=O.N=C=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
APLNR P35414 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
PPP1CA P62136 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10795697 1.00 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL28797346 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL598990 0.84 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL597801 0.84 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL3783240 0.84 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL3783239 0.84 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL28297608 0.76 APLNR (0.37) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL10592059 0.76 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL9408823 0.76 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
Thiocyanic Acid SCHEMBL11698930 0.76

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935422-B2 Urethane polyol precursors for coating compositions PPG INDUSTRIES OHIO, INC. (US) 2011-05-03 US claimed
US-20100227169-A1 URETHANE POLYOL PRECURSORS FOR COATING COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2010-09-09 US claimed
US-7732555-B2 Urethane polyol precursors for coating compositions PPG INDUSTRIES OHIO, INC. (US) 2010-06-08 US claimed
WO-2005073268-A1 URETHANE POLYOL PRECURSORS FOR COATING COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2005-08-11 WO claimed
US-20050164008-A1 Urethane polyol precursors for coating compositions PPG INDUSTRIES OHIO, INC. 2005-07-28 US claimed
US-20240239960-A1 MULTIPLE CURE COREACTIVE COMPOSITIONS FOR ADDITIVE MANUFACTURING AND USES THEREOF PPG INDUSTRIES OHIO, INC. (US) 2024-07-18 US disclosed
EP-4330311-A1 MULTIPLE CURE COREACTIVE COMPOSITIONS FOR ADDITIVE MANUFACTURING AND USES THEREOF PPG Industries Ohio Inc. (US) 2024-03-06 EP disclosed
US-11898054-B2 Actinic radiation-curable urethane/urea-containing aerospace coatings and sealants PRC-DESOTO INTERNATIONAL, INC. (US) 2024-02-13 US disclosed
US-11807707-B2 Polyurethane prepolymers incorporating nonlinear short chain diols and/or soft diisocyanates compositions, and uses thereof PRC-DESOTO INTERNATIONAL, INC. (US) 2023-11-07 US disclosed
WO-2023150473-A1 POLYCARBONATE-BASED POLYURETHANE TOPCOATS PRC-DESOTO INTERNATIONAL, INC. (US) 2023-08-10 WO disclosed
US-20220025098-A1 POLYURETHANE PREPOLYMERS INCORPORATING NONLINEAR SHORT CHAIN DIOLS AND/OR SOFT DIISOCYANATES COMPOSITIONS, AND USES THEREOF PRC-DESOTO INTERNATIONAL, INC. 2022-01-27 US disclosed
US-11180604-B2 Polyurethane prepolymers incorporating nonlinear short chain diols and/or soft diisocyanates compositions, and uses thereof PRC-DESOTO INTERNATIONAL, INC. (US) 2021-11-23 US disclosed
US-7935422-B2 Urethane polyol precursors for coating compositions PPG INDUSTRIES OHIO, INC. (US) 2011-05-03 US disclosed
US-20100227169-A1 URETHANE POLYOL PRECURSORS FOR COATING COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2010-09-09 US disclosed
US-7732555-B2 Urethane polyol precursors for coating compositions PPG INDUSTRIES OHIO, INC. (US) 2010-06-08 US disclosed
US-20050164008-A1 Urethane polyol precursors for coating compositions PPG INDUSTRIES OHIO, INC. 2005-07-28 US disclosed
EP-0116924-A2 Laminated photochromic lens and method of laminating a photochromic lens PPG INDUSTRIES, INC. (US) 1984-08-29 EP disclosed
US-4041208-A ENERGY ABSORBERS, LAMINATED GLASS SHEETS USEFUL AS AUTOMOBILE WINDSHIELDS PPG INDUSTRIES, INC. (US) 1977-08-09 US disclosed
US-3965057-A Adhesion control for safety glass laminates via polyurethane composition PPG INDUSTRIES, INC. (US) 1976-06-22 US disclosed
US-3931113-A IMPACT-RESISTANT THERMOPLASTIC POLYESTER URETHANES PPG INDUSTRIES, INC. (US) 1976-01-06 US disclosed