SCHEMBL4580600

SCHEMBL4580600

O=C=NC1CCC(OC2CCC(N=C=O)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
APLNR P35414 1/20 0.36
CYP3A4 P08684 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
SCHEMBL19444447 0.84 ALDH1A1 (0.72) ALDH1A1APLNRCYP3A4
SCHEMBL21378 0.84 ALDH1A1 (0.72) ALDH1A1APLNRCYP3A4
SCHEMBL580581 0.84 ALDH1A1 (0.72) ALDH1A1APLNRCYP3A4
SCHEMBL247292 0.84
SCHEMBL9642004 0.84 ALDH1A1 (0.72) ALDH1A1APLNRCYP3A4
SCHEMBL174369 0.84 ALDH1A1 (0.72) ALDH1A1APLNRCYP3A4
SCHEMBL4054600 0.81 ALDH1A1 (0.50) ALDH1A1APLNRCYP3A4
SCHEMBL14621171 0.81 ALDH1A1 (0.50) ALDH1A1APLNRCYP3A4
SCHEMBL4044601 0.81 ALDH1A1 (0.50) ALDH1A1APLNRCYP3A4
Hydrochloric Acid SCHEMBL27774077 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116997590-A Polyol and process for producing the same 巴斯夫欧洲公司 2023-11-03 CN claimed
CN-116964122-A Polyurea copolymers 巴斯夫欧洲公司 2023-10-27 CN claimed
CN-114846043-A Polyurea copolymers 巴斯夫欧洲公司 2022-08-02 CN claimed
CN-114829442-A Polyurea copolymers 巴斯夫欧洲公司 2022-07-29 CN claimed
EP-0280451-B1 POLYETHERURETHANE UREA POLYMERS AS SPACE FILLING TISSUE ADHESIVES PFIZER INC. (US) 1992-09-23 EP claimed
EP-0280451-A2 Polyetherurethane urea polymers as space filling tissue adhesives PFIZER INC. (US) 1988-08-31 EP claimed
US-4743632-A Polyetherurethane urea polymers as space filling tissue adhesives PFIZER HOSPITAL PRODUCTS GROUP, INC. (US) 1988-05-10 US claimed
CN-119894954-A System and method for enclosing a PFAS 巴斯夫欧洲公司 2025-04-25 CN disclosed
CN-119053633-A Lignin-based TPU compositions, methods of making and uses thereof 巴斯夫欧洲公司 2024-11-29 CN disclosed
CN-116997590-A Polyol and process for producing the same 巴斯夫欧洲公司 2023-11-03 CN disclosed
CN-116964122-A Polyurea copolymers 巴斯夫欧洲公司 2023-10-27 CN disclosed
CN-114846043-A Polyurea copolymers 巴斯夫欧洲公司 2022-08-02 CN disclosed
CN-114829442-A Polyurea copolymers 巴斯夫欧洲公司 2022-07-29 CN 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
EP-0280451-A2 Polyetherurethane urea polymers as space filling tissue adhesives PFIZER INC. (US) 1988-08-31 EP disclosed
US-4743632-A Polyetherurethane urea polymers as space filling tissue adhesives PFIZER HOSPITAL PRODUCTS GROUP, INC. (US) 1988-05-10 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