SCHEMBL6927486

SCHEMBL6927486

C=CCCC.C=CCCC.N=C=O.N=C=O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
ALDH1A1 P00352 3/20 0.46
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL29014053 1.00
SCHEMBL8093070 1.00 TSHR (0.67) TSHRALDH1A1CA2CA9
Carbon Dioxide SCHEMBL29204138 0.86
SCHEMBL9396633 0.84
SCHEMBL9396638 0.84 TSHR (0.70) TSHRALDH1A1
Isothiocyanate SCHEMBL30534255 0.83
Ethane SCHEMBL28797341 0.82 TSHR (0.67) TSHRALDH1A1
SCHEMBL27805642 0.82 TSHR (0.68) TSHRALDH1A1
SCHEMBL8468547 0.82 TSHR (1.00) TSHRALDH1A1
SCHEMBL1871536 0.82 TSHR (1.00) TSHRALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4419294-A Carbodiimide oligomers of tertiary aliphatic isocyanates AMERICAN CYANAMID COMPANY (US) 1983-12-06 US claimed
EP-0969029-B1 Novel polycarbodiimide polymers and their use as adhesive intermediate layers in automotive coatings BASF CORP (US) 2003-11-26 EP disclosed
US-6063890-A POLYCARBODIIMIDE BLOCK COPOLYMER WITH BLOCKS SUCH AS A POLYESTER, POLYACRYLATE, POLYURETHANE, POLYETHER, POLYSILOXANE, POLYETHYLENE, POLYCARBONATE, POLYUREA BASF CORPORATION (US) 2000-05-16 US disclosed
EP-0969029-A1 Novel polycarbodiimide polymers and their use as adhesive intermediate layers in automotive coatings BASF CORPORATION (US) 2000-01-05 EP disclosed
US-5357021-A Crosslinkers for automotive paints BASF CORPORATION (US) 1994-10-18 US disclosed
EP-0266661-B1 Preparation of cyclohexyl mono- and diurethanes and isocyanates derived therefrom by addition of methylcarbamates to limonene, process and compositions AMERICAN CYANAMID CO (US) 1994-04-27 EP disclosed
US-4788329-A CURABLE AMERICAN CYANAMID COMPANY (US) 1988-11-29 US disclosed
EP-0266661-A2 Preparation of cyclohexyl mono- and diurethanes and isocyanates derived therefrom by addition of methylcarbamates to limonene, process and compositions AMERICAN CYANAMID COMPANY (US) 1988-05-11 EP disclosed
EP-0088218-B1 PREPARATION OF TERTIARY ALKYL ISOCYANATES AMERICAN CYANAMID COMPANY (US) 1985-05-08 EP disclosed
US-4419294-A Carbodiimide oligomers of tertiary aliphatic isocyanates AMERICAN CYANAMID COMPANY (US) 1983-12-06 US disclosed
US-4419294-A Carbodiimide oligomers of tertiary aliphatic isocyanates AMERICAN CYANAMID COMPANY (US) 1983-12-06 US disclosed
EP-0088218-A1 Preparation of tertiary alkyl isocyanates AMERICAN CYANAMID COMPANY (US) 1983-09-14 EP disclosed
US-4399074-A FROM THE HALIDE, CATALYST COMPLEX OF ZINC SALT, PYRIDINE AND ALKALI METAL CYANATE AMERICAN CYANAMID COMPANY (US) 1983-08-16 US disclosed
US-4399073-A FROM THE HALIDE AND ALKALI METAL CYANATE, WATER AMERICAN CYANAMID COMPANY (US) 1983-08-16 US disclosed