SCHEMBL8599213

SCHEMBL8599213

Cc1ccc(C(C)(C)CN=C=O)cc1C(C)(C)CN=C=O

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TRPA1 O75762 1/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL27552000 0.80 SHBG (0.34) SMN1; SMN2CYP3A4
SCHEMBL5737958 0.78 NR3C1 (0.33)
SCHEMBL9066235 0.78 ESR1 (0.33) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL3602247 0.73
SCHEMBL29270064 0.72 TAAR1 (0.47) MAPK1CYP3A4ALDH1A1KMT2A
SCHEMBL8600868 0.71 NPC1 (0.46) MAPK1SMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL24017229 0.68 ESR1 (0.38) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL439669 0.68 TAAR1 (0.47)
SCHEMBL14944474 0.68 TRPA1 (0.33) TRPA1CYP3A4
SCHEMBL9404584 0.68 CA2 (0.45) LMNAMEN1ALDH1A1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240141093-A1 Polyol and a Process for the Preparation Thereof BASF SE (DE) 2024-05-02 US claimed
EP-4308629-A1 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2024-01-24 EP claimed
EP-4305085-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-01-17 EP claimed
WO-2022194979-A9 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2023-07-20 WO claimed
US-20230092952-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-23 US claimed
US-20230062261-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-02 US claimed
WO-2021122472-A1 POLYUREA COPOLYMER BASF SE (DE) 2021-06-24 WO claimed
WO-2021122480-A1 POLYUREA COPOLYMER BASF SE (DE) 2021-06-24 WO claimed
US-20240141093-A1 Polyol and a Process for the Preparation Thereof BASF SE (DE) 2024-05-02 US disclosed
WO-2024064691-A1 SYSTEM AND METHOD FOR PFAS CONTAINMENT BASF SE (DE) 2024-03-28 WO disclosed
EP-4308629-A1 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2024-01-24 EP disclosed
EP-4305085-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-01-17 EP disclosed
WO-2022194979-A9 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2023-07-20 WO disclosed
US-20230092952-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-23 US disclosed
US-4990543-A Polyimides, polyamides MANVILLE CORPORATION (US) 1991-02-05 US disclosed
EP-0407994-A1 Lightweight flexible imide foam and method of producing same MANVILLE CORPORATION (US) 1991-01-16 EP disclosed
US-4980387-A Reaction product of polyisocyanate and mixture of difunctional acids and anhydrides in presence of tertiary amine triazine catalyst MANVILLE CORPORATION (US) 1990-12-25 US disclosed
US-4203875-A CURED POLYURETHANE PROTECTIVE COATING GROW CHEMICAL CORP. (US) 1980-05-20 US disclosed
US-4070509-A APPLYING POLYURETHANE COATING TO SUBSTRATE AND CURING SAME GROW CHEMICAL CORPORATION (US) 1978-01-24 US disclosed
US-3998768-A Thermosetting powder coating composition of a blend of acrylic polymers having different glass transition temperatures and a blocked polyisocyanate cross-linking agent E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-21 US disclosed