SCHEMBL271789

SCHEMBL271789

CC(C)(C)c1ccccc1C(N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CA2 P00918 1/20 0.41
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
F2 P00734 1/20 0.35
KIF11 P52732 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL28481814 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL15541289 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL10349303 0.82 ALDH1A1 (0.41) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL18929401 0.82 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL11661549 0.79 ALDH1A1 (0.39) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL7941102 0.78 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL29414888 0.78 GABRA1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL9621326 0.78 TSHR (0.46) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL4667743 0.78 GABRA1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL10591850 0.77 ALDH1A1 (0.42) ALDH1A1TSHRTDP1CA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394487-B2 ELASTIC POLYURETHANE FOAM AND PROCESS FOR ITS PRODUCTION ASAHI GLASS CO LTD (JP) 2005-02-16 EP claimed
US-5360934-A Aluminum oxide supported rhodium catalyst AIR PRODUCTS AND CHEMICALS, INC. (US) 1994-11-01 US claimed
EP-0335272-B1 HYDROGENATION OF AROMATIC AMINES TO PRODUCE THEIR RING HYDROGENATED COUNTERPARTS AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-09-22 EP claimed
EP-4709775-A1 FOAM FORMULATIONS Dow Global Technologies LLC (US) 2026-03-18 EP disclosed
WO-2025064308-A1 HIGH STRENGTH POLYURETHANE FOAMS FORMULATIONS WITH METAL ADHESIVE PROPERTIES DOW GLOBAL TECHNOLOGIES LLC (US) 2025-03-27 WO disclosed
WO-2024233158-A1 FOAM FORMULATIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2024-11-14 WO disclosed
EP-3867291-B1 FORMULATED POLYOL COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2024-10-09 EP disclosed
EP-2723790-B1 SUGAR-BASED POLYURETHANES, METHODS FOR THEIR PREPARATION, AND METHODS OF USE THEREOF SES FOAM LLC (US) 2024-03-20 EP disclosed
US-11739176-B2 Formulated polyol compositons DOW GLOBAL TECHNOLOGIES LLC (US) 2023-08-29 US disclosed
CN-111655803-B Aqueous ink composition for writing instrument 三菱铅笔株式会社 2022-12-16 CN disclosed
CN-114867798-A Water-based ink composition for ballpoint pen 三菱铅笔株式会社 2022-08-05 CN disclosed
EP-0177916-B1 MONO-TERTIARY-ALKYLATED TOLUENEDIAMINE AND DERIVATIVES AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-04-11 EP disclosed
EP-0178583-B1 POLYURETHANE SYSTEMS USING MONOTERTIARY-ALKYLTOLUENEDIAMINE AS A CROSS LINKER AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-05-31 EP disclosed
US-4816543-A REACTIN INJECTION MOLDING MATERIALS AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-03-28 US disclosed
US-4745223-A CHAIN EXTENDERS FOR POLYUREAS AND POLYURETHANES AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-05-17 US disclosed
US-4740620-A HIGH SELECTIVITY TO THE ORTHO POSITION AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-04-26 US disclosed
US-4693837-A Tertiary butyl derivatives of toluenediamine and mixtures as antioxidant for organic materials AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-09-15 US disclosed
EP-0226781-A1 Alkylation of aromatic amines in the presence of acidic, crystalline molecular sieves AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-07-01 EP disclosed
EP-0178583-A1 Polyurethane systems using monotertiary-alkyltoluenediamine as a cross linker AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-23 EP disclosed
EP-0177916-A1 Mono-tertiary-alkylated toluenediamine and derivatives AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-16 EP disclosed